1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide;1,1,1-trifluoro-N-methylmethanesulfonamide

C11H20F6N2O4S2 — CID 143893293

IUPAC1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide;1,1,1-trifluoro-N-methylmethanesulfonamide
SMILESCC1CCCCCC1NS(=O)(=O)C(F)(F)F.CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H16F3NO2S.C2H4F3NO2S/c1-7-5-3-2-4-6-8(7)13-16(14,15)9(10,11)12;1-6-9(7,8)2(3,4)5/h7-8,13H,2-6H2,1H3;6H,1H3
InChIKeyZXONFBQZGUWJDS-UHFFFAOYSA-N
MW422.41 g/mol
LogP2.45
Rot. Bonds3

About 1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide;1,1,1-trifluoro-N-methylmethanesulfonamide

1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide;1,1,1-trifluoro-N-methylmethanesulfonamide (PubChem CID 143893293) has the molecular formula C11H20F6N2O4S2 and a molecular weight of 422.41 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide;1,1,1-trifluoro-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide;1,1,1-trifluoro-N-methylmethanesulfonamide
PubChem CID143893293
Molecular FormulaC11H20F6N2O4S2
Molecular Weight422.41 g/mol
Exact Mass422.08
IUPAC Name1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide;1,1,1-trifluoro-N-methylmethanesulfonamide
SMILESCC1CCCCCC1NS(=O)(=O)C(F)(F)F.CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H16F3NO2S.C2H4F3NO2S/c1-7-5-3-2-4-6-8(7)13-16(14,15)9(10,11)12;1-6-9(7,8)2(3,4)5/h7-8,13H,2-6H2,1H3;6H,1H3
InChIKeyZXONFBQZGUWJDS-UHFFFAOYSA-N
XLogP2.45
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide;1,1,1-trifluoro-N-methylmethanesulfonamide with MolForge

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Related Compounds

2,3-dimethylnonan-2-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 87089412
N-(6-amino-2-ethylheptyl)-1,1,1-trifluoromethanesulfonamide
CID 121432266
trifluoromethanesulfonamide;1,1,1-trifluoro-N-(2-methylcyclohexyl)methanesulfonamide
CID 143893301
Bis(trifluoromethylsulfonyl)azanide;5-ethylnonan-1-amine
CID 159813378
N-(cycloheptylmethyl)-1,1,1-trifluoromethanesulfonamide
CID 163658616
N-[(1-aminocycloheptyl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 43598303
1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide
CID 143893294
Bis(trifluoromethylsulfonyl)azanide;(2-methyl-3-propan-2-ylnonan-3-yl)azanium
CID 158232505
2-methyl-3-propan-2-ylnonan-3-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 171931212

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide;1,1,1-trifluoro-N-methylmethanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide;1,1,1-trifluoro-N-methylmethanesulfonamide (CID 143893293) is 1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide;1,1,1-trifluoro-N-methylmethanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide;1,1,1-trifluoro-N-methylmethanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide;1,1,1-trifluoro-N-methylmethanesulfonamide is CC1CCCCCC1NS(=O)(=O)C(F)(F)F.CNS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide;1,1,1-trifluoro-N-methylmethanesulfonamide?
The InChIKey is ZXONFBQZGUWJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2S.C2H4F3NO2S/c1-7-5-3-2-4-6-8(7)13-16(14,15)9(10,11)12;1-6-9(7,8)2(3,4)5/h7-8,13H,2-6H2,1H3;6H,1H3.
What are the key properties of 1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide;1,1,1-trifluoro-N-methylmethanesulfonamide?
1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide;1,1,1-trifluoro-N-methylmethanesulfonamide has a molecular weight of 422.41 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide;1,1,1-trifluoro-N-methylmethanesulfonamide is sourced from PubChem (CID 143893293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).